Information card for entry 2236369

Structure parameters

• Chemical name: 1-Dodecyl-1<i>H</i>-benzo[<i>d</i>]imidazol-2(3<i>H</i>)-one
• Formula: C19 H30 N2 O
• Calculated formula: C19 H30 N2 O
• SMILES: n1(c2c([nH]c1=O)cccc2)CCCCCCCCCCCC
• Title of publication: 1-Dodecyl-1<i>H</i>-benzo[<i>d</i>]imidazol-2(3<i>H</i>)-one
• Authors of publication: Belaziz, Dounia; Kandri Rodi, Youssef; Ouazzani Chahdi, Fouad; Essassi, El Mokhtar; Saadi, Mohamed; El Ammari, Lahcen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 11
• Pages of publication: o3069
• a: 38.3223 ± 0.0014 Å
• b: 4.8318 ± 0.0002 Å
• c: 21.9831 ± 0.0008 Å
• α: 90°
• β: 117.843 ± 0.002°
• γ: 90°
• Cell volume: 3599.3 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0717
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1215
• Weighted residual factors for all reflections included in the refinement: 0.1407
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes